1-[1,3-benzodioxol-5-yl-(2-cyanoaziridin-1-yl)methyl]aziridine-2-carboxamide

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-cyanoaziridin-1-yl)methyl]aziridine-2-carboxamide Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-cyanoaziridin-1-yl)methyl]aziridine-2-carboxamide CAS Name: 1-[1,3-benzodioxol-5-yl-(2-cyano-1-aziridinyl)methyl]-2-aziridinecarboxamide IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-cyanoaziridin-1-yl)methyl]aziridine-2-carboxamide Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-cyanoethylenimin-1-yl)methyl]ethylenimine-2-carboxamide Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(C2=CC3=C(C=C2)OCO3)N4CC4C(=O)N)C#N

Isomeric SMILES

C1C(N1C(C2=CC3=C(C=C2)OCO3)N4CC4C(=O)N)C#N

InChI

InChI=1S/C14H14N4O3/c15-4-9-5-17(9)14(18-6-10(18)13(16)19)8-1-2-11-12(3-8)21-7-20-11/h1-3,9-10,14H,5-7H2,(H2,16,19)